Crystallography Open Database

Information card for entry 7023986

Preview

Coordinates	7023986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H39 Bi N2 O3 Si2
Calculated formula	C36 H39 Bi N2 O3 Si2
SMILES	[Bi]123(O[Si](O[Si](c4ccccc4)(O1)c1ccccc1)(c1ccccc1)c1ccccc1)[N](C)(C)Cc1c3c(C[N]2(C)C)ccc1
Title of publication	Straightforward synthesis of novel cyclic metallasiloxanes supported by an N,C,N-chelating ligand.
Authors of publication	Fridrichová, Adéla; Mairychová, Barbora; Padělková, Zdeňka; Lyčka, Antonín; Jurkschat, Klaus; Jambor, Roman; Dostál, Libor
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	46
Pages of publication	16403 - 16411
a	14.144 ± 0.001 Å
b	20.3112 ± 0.0012 Å
c	11.9648 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3437.3 ± 0.4 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0367
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179944 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/39.	7023986.cif
91611	2013-12-13	cif/ Adding structures of 7023984, 7023985, 7023986, 7023987, 7023988, 7023989 via cif-deposit CGI script.	7023986.cif